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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-19 刚刚
[LAMMPS/ ] [已完结]lammps中的npt系综下逐步降温问题 (评阅+1) (3/2334) sixsheep 2014-05-25 2014-05-26 10:52:38 by 锐利的碎片
[Gromacs ] [已完结]怎么用NAMD实现共价键吸附 (评阅+1) (0/322) 站立的树 2014-05-26 2014-05-26 10:33:32 by 站立的树
[LAMMPS/ ] [已完结]lammps中如何用group命令按照原子坐标值进行分组 (评阅+1) (3/2967) 肖钧江 2014-05-23 2014-05-25 09:52:29 by tim562944200
[MS] [已完结]力场文件修改 (评阅+1) (6/1477) 故事是这样的 2014-05-20 2014-05-25 01:18:05 by visualization
[MS] [已完结][关贴]怎么用MS软件进行(微)乳液的分子模拟? (2/571) planck1229 2014-05-21 2014-05-24 13:16:30 by planck1229
[Gromacs ] [已完结]QM/MM可以用于无机晶体吸附气体的模型么? (评阅+1) (1/395) wjf12 2014-05-23 2014-05-24 08:47:39 by wjf12
[MS] [已完结]建好无定形聚合物的盒子以后用什么系综对它进行退火处理 (评阅+1) (3/1141) 873051305 2014-05-21 2014-05-23 20:36:50 by 潇湘小虎
[MS] [已完结]MS 中DMOL3模块的问题~ (评阅+1) (0/384) pdl9527 2014-05-23 2014-05-23 17:01:43 by pdl9527
[MS] [已完结]过渡态搜索失败求助呀 (评阅+1) (0/946) 乔子末 2014-05-23 2014-05-23 16:23:00 by 乔子末
[LAMMPS/ ] [已完结][关贴]100金币求助msi2lmp导出LAMMPS数据文件的问题 (评阅+1) (4/1978) fwforest 2014-05-22 2014-05-23 14:57:33 by fwforest
[MS] [已完结]怎么用MS计算Si的熔点 (评阅+1) (0/551) zhangyumin6688 2014-05-23 2014-05-23 10:30:14 by zhangyumin6688
[DS/Syby ] [已完结][关贴]准备柔性残基时出问题了,run autogrid和autodock时不生成glg文件和dlg文件 (0/1259) jztxiaozhou 2014-05-23 2014-05-23 09:54:12 by jztxiaozhou
[专家会诊] [已完结]分子动力学模拟轨迹文件格式的选择问题 (评阅+1) (4/1958) chenjingzhi 2014-05-22 2014-05-23 09:53:06 by childsliu
[其他] [已完结]有什么算法可以从MOL2文件中识别出芳香环 (评阅+1) (7/1125) 埃菲尔great 2014-05-20 2014-05-23 08:03:24 by kekexiliwolf
[DS/Syby ] [已完结][关贴]如何做NH4+的对接 (评阅+1) (0/372) 柯艳萍 2014-05-22 2014-05-22 21:56:40 by 柯艳萍
[DS/Syby ] [已完结][关贴]NH4+对接 (评阅+1) (2/365) 柯艳萍 2014-05-02 2014-05-22 21:52:14 by 柯艳萍
[Gromacs ] [已完结]求助,关于Gromacs生成的水盒子中加小分子。 (评阅+1) (7/2453) lyisacat 2014-05-19 2014-05-22 15:12:30 by fangsteel
[Gromacs ] [已完结][求助]QM/MM联用    ( 1 2 ) (11/1936) 量化新手 2011-06-15 2014-05-22 13:24:07 by wjf12
[Gromacs ] [已完结]求助,如何将martini力场导入gromacs (评阅+1) (0/1735) xxj9618 2014-05-22 2014-05-22 11:07:01 by xxj9618
[MS] [已完结]单层石墨卷成碳纳米管 (评阅+1) (4/989) jasonyang 2014-05-19 2014-05-21 22:37:05 by vgjhvgj
[MS] [已完结]如何使用MS建立泡沫的气液界面模型 (评阅+1) (0/316) wyjhwj 2014-05-21 2014-05-21 20:40:16 by wyjhwj
[MS] [已完结]关于模拟有机无机复合材料!!! (评阅+1) (0/284) peerlesszjh 2014-05-21 2014-05-21 17:38:20 by peerlesszjh
[MS] [已完结]求文献,有关石墨表面吸附结晶的 (评阅+1) (0/244) 白玉浴血 2014-05-21 2014-05-21 16:52:56 by 白玉浴血
[MS] [已完结]怎么用ms软件建立聚合物包覆在纳米二氧化硅微球上的模型阿 类似下图?? (评阅+2) (6/2771) peerlesszjh 2014-04-22 2014-05-21 15:23:53 by peerlesszjh
[DS/Syby ] [已完结]求一个SYBYL自带的Docking Suite Manual (评阅+1) (2/378) windf1ower 2014-05-20 2014-05-21 13:35:12 by iovvoi
[Gromacs ] [已完结]求教gromacs中 g_order 和g_hydorder有什么区别 (评阅+1) (0/504) cyl001 2014-05-21 2014-05-21 13:04:49 by cyl001
[Gromacs ] [已完结]分子动力学如何判断蛋白质组氨酸的质子化状态 (8/5946) wl507586 2013-05-20 2014-05-21 12:08:21 by fanghongmei
[其他] [已完结]用music模拟了IRMOF1吸附H2 ,怎么根据结果画等温吸附线 (评阅+1) (0/559) qqredarmy 2014-05-21 2014-05-21 11:58:25 by qqredarmy
[LAMMPS/ ] [已完结]关于使用lammps中的pour功能 (评阅+1) (0/770) 水-天一线 2014-05-21 2014-05-21 10:25:54 by 水-天一线
[LAMMPS/ ] [已完结]fix heat comand计算晶格热导 (评阅+1) (1/933) 200909140505 2014-05-20 2014-05-21 09:05:11 by 200909140505
[Gromacs ] [已完结][关贴]求文献Effects of Shock Waves on Biological Membranes: A Molecular Dynamics Study (0/257) sundandan_ 2014-05-20 2014-05-20 17:00:56 by sundandan_
[其他] [已完结]pymol 软件怎么设置氨基酸半透明? (评阅+1) (1/2969) lwsw01 2014-05-19 2014-05-20 16:43:02 by 黑藻先生
[DS/Syby ] [已完结]Discovery Studio Max NUMBER of HITS (评阅+1) (0/395) 兮兮7986 2014-05-20 2014-05-20 14:55:41 by 兮兮7986
[LAMMPS/ ] [已完结]lammps中运行倾侧晶界是出现原子减少的现象是什么原因? (评阅+1) (4/1506) Saraing 2014-05-13 2014-05-20 13:10:43 by Saraing
[Gromacs ] [已完结]请教AMBER能跑锕系元素吗? (评阅+1) (0/292) alystone 2014-05-20 2014-05-20 11:09:41 by alystone
[MS] [已完结]分子体积的计算 (评阅+1) (0/604) 王太杨 2014-05-20 2014-05-20 10:13:46 by 王太杨
[MS] [已完结]用MS软件计算分子的体积 (评阅+1) (0/953) 王太杨 2014-05-20 2014-05-20 10:04:08 by 王太杨
[其他] [已完结]DPD耗散粒子动力学新手求助 (1/886) jg64x 2013-04-27 2014-05-20 07:09:17 by sunofsong
[Hyperch ] [已完结]如何把.gjf文件转换为.mol文件    ( 1 2 ) (评阅+1) (13/4662) 向日葵2012 2013-11-21 2014-05-20 06:52:56 by litingde
[Gromacs ] [已完结]跪求大侠帮助!!! (评阅+1) (0/275) zzu200923104 2014-05-19 2014-05-19 21:35:08 by zzu200923104
[MS] [已完结][关贴]ERROR : volume has exceeded maximum allowed set by mdmaxvolume (评阅+1) (1/657) lkd-syl 2014-05-16 2014-05-19 21:26:01 by lkd-syl
[MS] [已完结]基于AC模块计算flory huggins参数 (评阅+1) (1/586) 王太杨 2014-05-19 2014-05-19 19:59:54 by 王太杨
[DS/Syby ] [已完结]帮忙做一个对接 (评阅+1) (2/390) _蝶飞 2014-05-11 2014-05-19 17:06:09 by _蝶飞
[专家会诊] [已完结]compass力场模拟苯酚密度 (评阅+1) (3/865) 吾菲小丫头 2014-04-03 2014-05-19 16:52:02 by 豆豆sk8
[MS] [已完结]求助ICSD的数据库里Bi2Se3的cif文件!! (1/991) hqulzq 2013-07-06 2014-05-19 16:45:37 by Litter_horsr
[MS] [已完结]怎样选择力场阿??? 要分析系统的结构还是什么啊?? (评阅+1) (0/217) peerlesszjh 2014-05-19 2014-05-19 16:35:12 by peerlesszjh
[Gromacs ] [已完结]ibelly问题 (评阅+1) (6/971) zyx19840227 2014-05-19 2014-05-19 16:21:06 by zyx19840227
[Gromacs ] [已完结]amber里的.rst输出文件增倍 (评阅+1) (0/432) lifeisall 2014-05-19 2014-05-19 15:33:05 by lifeisall
[Gromacs ] [已完结]gromacs spatial distribution function (评阅+1) (3/542) mapleboys 2014-05-13 2014-05-19 13:14:01 by 兰S水晶
[LAMMPS/ ] [已完结]lammmps win版串行出错,求助 (评阅+1) (3/1022) yjhqdm 2014-05-16 2014-05-19 10:41:27 by yjhqdm
[MS] [已完结]蛋白晶体结构疑问。 (评阅+1) (4/1458) 普队大四喜 2014-05-17 2014-05-19 10:23:18 by 普队大四喜
[专家会诊] [已完结]分子动力学问题 (评阅+1) (2/942) 点点滴滴2 2014-04-09 2014-05-18 23:13:03 by yeahgyz
[MS] [已完结]求助:组氨酸质子化状态的问题 (评阅+1) (6/2228) fanghongmei 2014-05-17 2014-05-18 14:42:57 by fanghongmei
[DS/Syby ] [已完结]surflex-dock 对接结果可靠性评价 (评阅+1) (2/892) mei_er 2014-05-10 2014-05-18 13:25:54 by mei_er
[MS] [已完结]求助MS软件REFLEX模块的具体运用 (评阅+1) (0/1091) 873051305 2014-05-18 2014-05-18 12:24:32 by 873051305
[Monte C ] [已完结][关贴]文献求助,谢谢了! (0/220) bobobo205 2014-05-17 2014-05-17 20:59:07 by bobobo205
[MS] [已完结]为什么verlet算法不能与热浴偶联,而蛙跳形式却可以和热浴偶联 (0/261) 对天空说lrj 2014-05-17 2014-05-17 17:12:40 by 对天空说lrj
[Gromacs ] [已完结]求助:有谁用过gromacs的自带尿素分子?? (4/603) eastlife 2013-08-15 2014-05-17 16:11:53 by 月只蓝
[Gromacs ] [已完结]知道衍射结果 如何构建晶胞体系呢 gromacs可识别的? (评阅+1) (0/348) cyl001 2014-05-17 2014-05-17 15:25:15 by cyl001
[DS/Syby ] [已完结]大神们帮忙看看什么原因2 (评阅+1) (2/374) 金文彬 2014-05-16 2014-05-17 14:43:43 by 金文彬
[MS] [已完结]Coarse - graining 模型中Lennard - Jones 势能函数的指数是怎么调整的? (9/2271) 学员94tPwG 2011-11-09 2014-05-17 09:14:10 by chuntao118
[LAMMPS/ ] [已完结]MSD均方位移如何计算 (评阅+1) (1/6244) xueyiran2007 2014-05-16 2014-05-17 06:50:05 by lsloneil
[MS] [已完结]求大神指教 这样的结构计算构象稳定性 该如何选立场和参数 (评阅+1) (0/242) chenhu1113 2014-05-17 2014-05-17 04:03:47 by chenhu1113
[DS/Syby ] [已完结]autodock4.0在win7下的安装 (评阅+1) (5/1747) dxl20132009 2014-04-24 2014-05-16 22:39:11 by ynqjmzq
[DS/Syby ] [已完结]SYBYL Surflex-dock问题 (评阅+1) (0/377) windf1ower 2014-05-16 2014-05-16 22:04:39 by windf1ower
[DS/Syby ] [已完结]Sybyl 2.0 计算出错 (2/948) michaelpao 2011-12-12 2014-05-16 17:05:14 by windf1ower
[LAMMPS/ ] [已完结]lammps命令如何修改以及解释,旧版是fix 2 all msd 100 diff.out (评阅+1) (6/1819) 朱雪刚521 2014-05-15 2014-05-16 16:02:00 by 朱雪刚521
[LAMMPS/ ] [已完结]LAMMPS中势函数电子密度具体是什么? (评阅+1) (0/611) yongning88 2014-05-16 2014-05-16 15:14:30 by yongning88
[LAMMPS/ ] [已完结]求能用的Mg的势函数 (评阅+1) (9/1945) 肖钧江 2014-05-15 2014-05-16 13:42:06 by yongning88
[ME/Gulp] [已完结][关贴]Gulp中Lennard函数求助 (评阅+5) (1/787) O3传说 2013-11-13 2014-05-16 12:48:31 by oxox6085
[MS] [已完结]请大神门帮我看看怎么建立这个模型阿?? (评阅+1) (0/316) peerlesszjh 2014-05-16 2014-05-16 11:30:03 by peerlesszjh
[MS] [已完结]请问MS可以模拟高分子的溶解过程吗? (评阅+1) (4/749) 宁非 2014-05-06 2014-05-16 09:59:21 by 宁非
[Gromacs ] [已完结][新手求教]安装Gromacs后,查看pdb2gmx命令,显示无此命令 (9/3695) lishuxian 2011-08-09 2014-05-16 09:58:40 by clinux
[LAMMPS/ ] [已完结]势函数的构件    ( 1 2 3 ) (评阅+1) (23/1510) yongning88 2014-04-29 2014-05-16 09:37:22 by yongning88
[其他] [已完结]求多环芳烃中的芴,苊,屈动力学直径 (评阅+1) (1/422) huanghl2010 2014-05-15 2014-05-15 23:31:09 by iamthinking
[MS] [已完结]MS将Al2O3(012)晶面切出后,出现电中性失衡问题 (评阅+1) (0/375) jmysccw 2014-05-15 2014-05-15 17:52:49 by jmysccw
[Gromacs ] [已完结]amber中nstlim和maxcyc变量 (评阅+1) (1/756) lifeisall 2014-05-15 2014-05-15 17:43:24 by iamthinking
[LAMMPS/ ] [已完结]求模拟软件安装包 (8/2057) 肖钧江 2014-03-10 2014-05-15 16:13:01 by 寂静的春
[MS] [已完结]新手求助吸附模拟 (评阅+1) (3/661) hare1212 2014-05-13 2014-05-15 16:04:22 by pigrass
[LAMMPS/ ] [已完结]有机分子体系分子动力学模拟采用哪款软件比较好(lammps? ADF?) (评阅+1) (0/2616) conperint 2014-05-15 2014-05-15 15:31:54 by conperint
[MS] [已完结]求助:怎样同时提取出多个文本中的同一行??谢谢!! (评阅+1) (2/406) 岸芷汀蓝冰 2014-05-15 2014-05-15 15:17:54 by 岸芷汀蓝冰
[已完结]lammps编程 (评阅+1) (0/445) sixsheep 2014-05-15 2014-05-15 11:17:50 by sixsheep
[MS] [已完结][关贴]由径向分布函数计算配位数 (0/1034) cgl_012 2014-05-15 2014-05-15 09:47:52 by cgl_012
[MS] [已完结]为什么建好的模型老是歪的,摆不正啊 (评阅+1) (2/1206) 唱歌给你听dc 2014-05-12 2014-05-15 09:08:05 by 月只蓝
[LAMMPS/ ] [已完结]lammps如何实现扭转呢 (评阅+5) (1/1822) 树栽子047 2013-11-04 2014-05-15 08:07:24 by Saraing
[其他] [已完结]进行聚合物结构优化时如何建模、选用什么方法什么软件? (评阅+1) (3/1032) Andsharia 2014-05-12 2014-05-14 19:45:01 by 加油笨蛋
[资源] [已完结]谁有MOE的数据库文件啊? (评阅+1) (0/681) hoc2h2 2014-05-14 2014-05-14 16:15:35 by hoc2h2
[其他] [已完结]请问现在有Gd的力场吗 (评阅+1) (3/431) 潇湘小虎 2014-05-14 2014-05-14 15:35:54 by pigrass
[已完结]求助NAMD模拟后的结果如何处理    ( 1 2 ) (评阅+1) (10/1903) 神秘星球 2014-05-10 2014-05-14 14:34:43 by 神秘星球
[资源] [已完结]求文献,非常感谢 (1/299) 爱无尽1988 2014-05-14 2014-05-14 14:15:18 by magicmonk
[MS] [已完结]半导体的态密度图分析求助 (评阅+1) (0/542) 茶味果冻 2014-05-14 2014-05-14 11:02:59 by 茶味果冻
[LAMMPS/ ] [已完结]VLinear函数 《the art of molecular dynamics simulation》 (评阅+1) (2/361) dying999 2014-05-11 2014-05-14 09:06:33 by dying999
[其他] [已完结]用origin求热流自相关函数的傅里叶变换 (评阅+1) (0/1685) liuasia 2014-05-13 2014-05-13 20:58:32 by liuasia
[LAMMPS/ ] [已完结]Fe-C、Ni-C的lennard-jones势函数参数求助!!!! (评阅+2) (1/1782) xxxxzzz 2014-05-12 2014-05-13 15:05:38 by huai
[MS] [已完结]有做SiC模拟的吗? (1/433) 490105179 2013-10-16 2014-05-13 14:04:45 by lanlinger13
[LAMMPS/ ] [已完结]100金,求lammps模拟金属熔化的输入文件,势函数和相关的输出文件。 (评阅+1) (1/1255) 朱雪刚521 2014-05-11 2014-05-13 12:58:53 by 王者万年
[MS] [已完结]想用GULP模块拟合Zn&W之间F-S势参数,求助~ (评阅+1) (0/565) ytudou 2014-05-13 2014-05-13 10:46:58 by ytudou
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